Information card for entry 1551720

Structure parameters

• Chemical name: 1-(7,8-Dimethyl-2-oxo-2H-chromen-4-ylmethyl)-pyrrolidine-2,5-dione
• Formula: C16 H15 N O4
• Calculated formula: C16 H15 N O4
• SMILES: o1c(=O)cc(c2ccc(c(c12)C)C)CN1C(=O)CCC1=O
• Title of publication: Crystal Structure of 1-(7,8-Dimethyl-2-oxo-2H-chromen-4-ylmethyl)-pyrrolidine-2,5-dione
• Authors of publication: R., MARULASIDDAIAH; KULKARNI, Manohar V.; SHARMA, Deepak; GUPTA, Vivek K.
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2011
• Journal volume: 27
• Pages of publication: 41
• a: 7.309 ± 0.002 Å
• b: 9.677 ± 0.003 Å
• c: 9.746 ± 0.003 Å
• α: 91.096 ± 0.005°
• β: 100.682 ± 0.005°
• γ: 102.191 ± 0.005°
• Cell volume: 660.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No